Geometry & MOs

Info

ID:	421756
PubChem CID:	135116548
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	5.02
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-N,N-dimethylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC=CC=C2)C(=O)NCC3=NC(=NO3)CCOC)C

DOS

IR

Vibrations